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. 2022 Feb 1;78(Pt 3):251–254. doi: 10.1107/S2056989022000767

Table 2. Experimental details.

Crystal data
Chemical formula [Ag(C9H16N3O2P)]BF4
M r 423.90
Crystal system, space group Monoclinic, C c
Temperature (K) 293
a, b, c (Å) 10.116 (5), 12.186 (5), 10.979 (5)
β (°) 98.260 (5)
V3) 1339.4 (11)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.68
Crystal size (mm) 0.35 × 0.2 × 0.15
 
Data collection
Diffractometer Enraf–Nonius CAD-4
Absorption correction ψ scan (North et al., 1968)
T min, T max 0.558, 0.755
No. of measured, independent and observed [I > 2σ(I)] reflections 1358, 1313, 1299
R int 0.009
(sin θ/λ)max−1) 0.605
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.123, 1.13
No. of reflections 1313
No. of parameters 190
No. of restraints 2
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.20, −1.54
Absolute structure Classical Flack method preferred over Parsons because s.u. lower
Absolute structure parameter 0.13 (6)

Computer programs: MACH3/PC (Enraf–Nonius, 1992), PROFIT (Streltsov & Zavodnik, 1989), SIR97 (Burla et al., 2007), SHELXL (Sheldrick, 2015), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).